1ERR
HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | X11 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-12-09 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.530, 53.680, 102.710 |
| Unit cell angles | 90.00, 116.79, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| R-factor | 0.219 * |
| Rwork | 0.219 |
| R-free | 0.29900 |
| Structure solution method | MIR |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.035 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.080 * | |
| Number of reflections | 15433 | |
| <I/σ(I)> | 7 | 3 |
| Completeness [%] | 95.7 | 62.6 |
| Redundancy | 4.5 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 18 * | 12% (W/V) PEG 4000, 0.2M MAGNESIUM CHLORIDE, 50MM L-LYSINE, 0.1M SUCROSE, 5% 1,4-DIOXANE, 0.1M TRIS-HCL, PH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 12 (%(w/v)) | |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | L-lysine | 50 (mM) | |
| 4 | 1 | reservoir | sucrose | 0.1 (M) | |
| 5 | 1 | reservoir | 1,4-dioxane | 5 (%) | |
| 6 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 7 | 1 | drop | protein | 7.2 (mg/ml) |
